[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate

C20H23ClN2O2 — CID 141319663

IUPAC[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
SMILESO=COC(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25-16-24)10-11-22-12-14-23(15-13-22)19-4-2-1-3-5-19/h1-9,16,20H,10-15H2
InChIKeyCNQBMPHJVCGYGM-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.77
Rot. Bonds7

About [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate

[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate (PubChem CID 141319663) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
PubChem CID141319663
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
SMILESO=COC(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25-16-24)10-11-22-12-14-23(15-13-22)19-4-2-1-3-5-19/h1-9,16,20H,10-15H2
InChIKeyCNQBMPHJVCGYGM-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
(2R)-1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 92967009
(Z)-but-2-enedioic acid;1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
CID 6436567
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
1-[4-(4-chlorophenyl)sulfonyl-4-phenylbutyl]-4-phenylpiperazine
CID 22763786
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate?
The IUPAC name of [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate (CID 141319663) is [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate is O=COC(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate?
The InChIKey is CNQBMPHJVCGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25-16-24)10-11-22-12-14-23(15-13-22)19-4-2-1-3-5-19/h1-9,16,20H,10-15H2.
What are the key properties of [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate?
[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate has a molecular weight of 358.87 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate is sourced from PubChem (CID 141319663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).